CID 2793873

1-(4-methylphenyl)-1-propanol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCC(C1=CC=C(C=C1)C)O

InChI

InChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3

InChIKey

ZBDUWPZEVMGAMD-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 150.10446 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.11174	132.2
[M+Na]+	173.09368	145.1
[M+NH4]+	168.13828	141.3
[M+K]+	189.06762	138.5
[M-H]-	149.09718	134.5
[M+Na-2H]-	171.07913	139.2
[M]+	150.10391	134.7
[M]-	150.10501	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe